(2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid

C12H14N2O5 — CID 38988600

IUPAC(2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid
SMILESNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m1/s1
InChIKeyGADGMZDHLQLZRI-SECBINFHSA-N
MW266.25 g/mol
LogP0.32
Rot. Bonds6

About (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid

(2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid (PubChem CID 38988600) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid
PubChem CID38988600
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid
SMILESNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m1/s1
InChIKeyGADGMZDHLQLZRI-SECBINFHSA-N
XLogP0.32
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid?
The IUPAC name of (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid (CID 38988600) is (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid is Nc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid?
The InChIKey is GADGMZDHLQLZRI-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid?
(2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid has a molecular weight of 266.25 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-aminobenzoyl)amino]pentanedioic acid is sourced from PubChem (CID 38988600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).